(E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine

C30H32N8 — CID 22114991

IUPAC(E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine
SMILESCN(/C=C/N(Cc1nc2ccccc2n1C)Cc1nc2ccccc2n1C)Cc1nc2ccccc2n1C
InChIInChI=1S/C30H32N8/c1-34(19-28-31-22-11-5-8-14-25(22)35(28)2)17-18-38(20-29-32-23-12-6-9-15-26(23)36(29)3)21-30-33-24-13-7-10-16-27(24)37(30)4/h5-18H,19-21H2,1-4H3/b18-17+
InChIKeyGZALBTOWLCEUGZ-ISLYRVAYSA-N
MW504.64 g/mol
LogP4.95
Rot. Bonds8

About (E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine

(E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine (PubChem CID 22114991) has the molecular formula C30H32N8 and a molecular weight of 504.64 g/mol. Its IUPAC name is (E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine
PubChem CID22114991
Molecular FormulaC30H32N8
Molecular Weight504.64 g/mol
Exact Mass504.27
IUPAC Name(E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine
SMILESCN(/C=C/N(Cc1nc2ccccc2n1C)Cc1nc2ccccc2n1C)Cc1nc2ccccc2n1C
InChIInChI=1S/C30H32N8/c1-34(19-28-31-22-11-5-8-14-25(22)35(28)2)17-18-38(20-29-32-23-12-6-9-15-26(23)36(29)3)21-30-33-24-13-7-10-16-27(24)37(30)4/h5-18H,19-21H2,1-4H3/b18-17+
InChIKeyGZALBTOWLCEUGZ-ISLYRVAYSA-N
XLogP4.95
TPSA59.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(E)-N-benzyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine
CID 22114999
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
CID 659092
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 71864058
6-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
CID 133346066
2-(4-chlorobut-2-ynyl)-1-methylbenzimidazole
CID 79754296
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine
CID 79757194
methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate
CID 86237797
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine?
The IUPAC name of (E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine (CID 22114991) is (E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine.
What is the SMILES notation for (E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine?
The canonical SMILES for (E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine is CN(/C=C/N(Cc1nc2ccccc2n1C)Cc1nc2ccccc2n1C)Cc1nc2ccccc2n1C.
What is the InChIKey of (E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine?
The InChIKey is GZALBTOWLCEUGZ-ISLYRVAYSA-N. The full InChI is InChI=1S/C30H32N8/c1-34(19-28-31-22-11-5-8-14-25(22)35(28)2)17-18-38(20-29-32-23-12-6-9-15-26(23)36(29)3)21-30-33-24-13-7-10-16-27(24)37(30)4/h5-18H,19-21H2,1-4H3/b18-17+.
What are the key properties of (E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine?
(E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine has a molecular weight of 504.64 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine is sourced from PubChem (CID 22114991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).